Monomers

Phosphonic acid, (1-bromoethenyl)-, diethyl ester

Identifiers

IUPAC name
1-bromo-1-diethoxyphosphorylethene
InchI
InChI=1S/C6H12BrO3P/c1-4-9-11(8,6(3)7)10-5-2/h3-5H2,1-2H3
InchI Key
SQMBBBWHQORDNI-UHFFFAOYSA-N
SMILES
CCOP(=O)(C(=C)Br)OCC
Canonical SMILES
CCOP(=O)(C(=C)Br)OCC
Isomeric SMILES
CCOP(=O)(C(=C)Br)OCC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H12BrO3P
Heavy Atom Count
11
Molecular Weight
243.037
Exact Molecular Weight
241.9707
Valence Electrons
66
Radical Electrons
0
tPSA
35.53
MolLogP
3.1186
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 23 22  0  0  0  0  0  0  0  0999 V2000
   -2.6721   -1.7291   -0.0684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5265   -0.9662   -0.7075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1830    0.0667    0.1277 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0696    1.0195   -0.4195 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.0650    1.1726   -1.9381 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1398    2.6863    0.2532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2368    3.0402    0.8850 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3215    3.8927   -0.0094 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.5821    0.5000    0.0337 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7699   -0.8520    0.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2159   -1.1076    0.4616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6225   -1.2450   -0.3617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5456   -1.6973    1.0412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6935   -2.7700   -0.4419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8163   -0.6682   -1.7220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6725   -1.6861   -0.7894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0213    2.3062    0.9961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2928    4.0545    1.2611 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1203   -1.3472    0.7707 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6907   -1.3132   -0.9901 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8502   -0.2941    0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5945   -2.0470    0.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2731   -1.0159    1.5474 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  6  8  1  0
  4  9  1  0
  9 10  1  0
 10 11  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  2 16  1  0
  7 17  1  0
  7 18  1  0
 10 19  1  0
 10 20  1  0
 11 21  1  0
 11 22  1  0
 11 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers